sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)

C10H26S7 — CID 87203826

IUPACsulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
SMILESCC(S)SC(C)CS.CC(S)SC(C)CS.S
InChIInChI=1S/2C5H12S3.H2S/c2*1-4(3-6)8-5(2)7;/h2*4-7H,3H2,1-2H3;1H2
InChIKeyUICGCNQYIFSRET-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.74
Rot. Bonds6

About sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)

sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol) (PubChem CID 87203826) has the molecular formula C10H26S7 and a molecular weight of 370.79 g/mol. Its IUPAC name is sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol).

Molecular Properties

Compound Namesulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
PubChem CID87203826
Molecular FormulaC10H26S7
Molecular Weight370.79 g/mol
Exact Mass370.01
IUPAC Namesulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
SMILESCC(S)SC(C)CS.CC(S)SC(C)CS.S
InChIInChI=1S/2C5H12S3.H2S/c2*1-4(3-6)8-5(2)7;/h2*4-7H,3H2,1-2H3;1H2
InChIKeyUICGCNQYIFSRET-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)?
The IUPAC name of sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol) (CID 87203826) is sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol).
What is the SMILES notation for sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)?
The canonical SMILES for sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol) is CC(S)SC(C)CS.CC(S)SC(C)CS.S.
What is the InChIKey of sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)?
The InChIKey is UICGCNQYIFSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12S3.H2S/c2*1-4(3-6)8-5(2)7;/h2*4-7H,3H2,1-2H3;1H2.
What are the key properties of sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)?
sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol) has a molecular weight of 370.79 g/mol, XLogP of 4.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol) is sourced from PubChem (CID 87203826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).